General Information of the Compound
| Compound ID |
CP0549903
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9266877, 83
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C41H37ClN6O3S
|
||||||||||||||||||
| Molecular Weight |
729.306
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)CCC(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)=C(C1)c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C41H37ClN6O3S/c1-41(2)18-16-27(32(20-41)26-10-12-29(42)13-11-26)22-48-23-28(21-43-48)30-14-15-36(45-37(30)39(50)51)47-19-17-25-6-5-7-31(33(25)24-47)38(49)46-40-44-34-8-3-4-9-35(34)52-40/h3-15,21,23H,16-20,22,24H2,1-2H3,(H,50,51)(H,44,46,49)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CWKCZWBDOSDNCC-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound